N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine

C10H9BrClN5 — CID 80927953

IUPACN-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2ccccc2Br)n1
InChIInChI=1S/C10H9BrClN5/c11-6-3-1-2-4-8(6)15-9-7(12)5-14-10(16-9)17-13/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyUPQNDZYJEWHSQP-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine

N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80927953) has the molecular formula C10H9BrClN5 and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
PubChem CID80927953
Molecular FormulaC10H9BrClN5
Molecular Weight314.57 g/mol
Exact Mass312.97
IUPAC NameN-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(Cl)c(Nc2ccccc2Br)n1
InChIInChI=1S/C10H9BrClN5/c11-6-3-1-2-4-8(6)15-9-7(12)5-14-10(16-9)17-13/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyUPQNDZYJEWHSQP-UHFFFAOYSA-N
XLogP2.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80760837
5-chloro-N-(2,4-dibromophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80896859
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
5-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-hydrazinylpyrimidin-4-amine
CID 80911957
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864
5-chloro-N-(2,6-dichloro-4-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 83082007

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine (CID 80927953) is N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(Cl)c(Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is UPQNDZYJEWHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5/c11-6-3-1-2-4-8(6)15-9-7(12)5-14-10(16-9)17-13/h1-5H,13H2,(H2,14,15,16,17).
What are the key properties of N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine?
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 314.57 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).